[2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione

C18H18F2O4S — CID 20820606

IUPAC[2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione
SMILESCCOC(F)(F)C(OC(=S)Oc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H18F2O4S/c1-3-22-18(19,20)16(13-9-11-14(21-2)12-10-13)24-17(25)23-15-7-5-4-6-8-15/h4-12,16H,3H2,1-2H3
InChIKeyKVSYFKQBWOIHPN-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.75
Rot. Bonds7

About [2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione

[2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione (PubChem CID 20820606) has the molecular formula C18H18F2O4S and a molecular weight of 368.40 g/mol. Its IUPAC name is [2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione.

Molecular Properties

Compound Name[2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione
PubChem CID20820606
Molecular FormulaC18H18F2O4S
Molecular Weight368.40 g/mol
Exact Mass368.09
IUPAC Name[2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione
SMILESCCOC(F)(F)C(OC(=S)Oc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H18F2O4S/c1-3-22-18(19,20)16(13-9-11-14(21-2)12-10-13)24-17(25)23-15-7-5-4-6-8-15/h4-12,16H,3H2,1-2H3
InChIKeyKVSYFKQBWOIHPN-UHFFFAOYSA-N
XLogP4.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Verimol H
CID 85266197
Verimol C
CID 85187741
1-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene
CID 126512451
p-Methoxybenzyl phenyl carbonate
CID 3084543
Verimol G
CID 45360337
3-Methoxy-3-[4-(trifluoromethoxy)phenyl]-1,2-dioxaspiro[5.6]dodec-4-ene
CID 10832222
3-Methoxy-3-[4-(trifluoromethoxy)phenyl]-1,2-dioxaspiro[5.5]undec-4-ene
CID 44308947
1-[2-(2-Fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene
CID 127025485
3-[1-(3-Fluoro-4-methoxyphenyl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 166625926
8-[1-(3-Fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 166634138
[4-[Methoxycarbonyloxy(phenyl)methyl]phenyl] acetate
CID 24751172
8-[1-(4-Methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 44299790

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione?
The IUPAC name of [2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione (CID 20820606) is [2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione.
What is the SMILES notation for [2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione?
The canonical SMILES for [2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione is CCOC(F)(F)C(OC(=S)Oc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of [2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione?
The InChIKey is KVSYFKQBWOIHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O4S/c1-3-22-18(19,20)16(13-9-11-14(21-2)12-10-13)24-17(25)23-15-7-5-4-6-8-15/h4-12,16H,3H2,1-2H3.
What are the key properties of [2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione?
[2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione has a molecular weight of 368.40 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-2,2-difluoro-1-(4-methoxyphenyl)ethoxy]-phenoxymethanethione is sourced from PubChem (CID 20820606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).